MiMeDB: Showing metabocard for 1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose (MMDBc0050863)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-05-16 20:08:43 UTC

Update Date

2022-09-01 02:17:58 UTC

Metabolite ID

MMDBc0050863

Metabolite Identification

Common Name

1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose

Description

1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose is found in milk and milk products. Amadori rearrangement produced found in heated milk and other foodstuff

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
e-Deoxyfructosyllysine	HMDB
e-Fructoselysine	HMDB
epsilon-Fructoselysine	HMDB
Fructose lysine	HMDB
Fructosyl-lysine	HMDB
Fructosyllysine	HMDB
N6-(1-Deoxy-D-fructos-1-yl)-L-lysine	HMDB
N6-(1-Deoxyfructos-1-yl)lysine	HMDB

Molecular Formula

C₁₂H₂₄N₂O₇

Average Mass

308.3282

Monoisotopic Mass

308.158351132

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C12H24N2O7/c13-7(11(18)19)3-1-2-4-14-6-12(20)10(17)9(16)8(5-15)21-12/h7-10,14-17,20H,1-6,13H2,(H,18,19)

InChI Key

ZAWLGBRDVQURAK-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

C-glycosyl compounds

Alternative Parents

Substituents

C-glycosyl compound
Alpha-amino acid
Alpha-amino acid or derivatives
Pentose monosaccharide
Medium-chain fatty acid
Amino fatty acid
Heterocyclic fatty acid
Hydroxy fatty acid
Fatty acyl
Fatty acid
Monosaccharide
Tetrahydrofuran
Amino acid or derivatives
Amino acid
Hemiacetal
Secondary alcohol
Oxacycle
Carboxylic acid derivative
Carboxylic acid
Secondary aliphatic amine
Organoheterocyclic compound
Secondary amine
Monocarboxylic acid or derivatives
Polyol
Organopnictogen compound
Organic nitrogen compound
Carbonyl group
Amine
Organic oxide
Primary amine
Primary aliphatic amine
Hydrocarbon derivative
Primary alcohol
Organonitrogen compound
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Blood

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Uremia		Association	Human Blood	HMDB	12675874

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human	Detected and Quantified	188.636	35.0649				Adult (>18 years old)	Both	Uremia	HMDB	12675874

External Links

HMDB ID

HMDB0034879

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB013454

KNApSAcK ID

Not Available

Chemspider ID

35013790

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131751634

PDB ID

Not Available

ChEBI ID

24109

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Lauer T, Rassaf T, Planitz C, Preuss R, Krause R, Henle T, Deussen A: Evidence against nitric oxide-quenching effects of chemically defined Maillard reaction products. Horm Metab Res. 2008 Apr;40(4):233-8. doi: 10.1055/s-2008-1058062. [PubMed:18548382 ]
Yannai, Shmuel (2004). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. Boca Raton: Chapman & Hall/CRC..

Showing metabocard for 1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose (MMDBc0050863)

MOL for #<Metabolite:0x00007f1218eb2928>

3D MOL for #<Metabolite:0x00007f1218eb2928>

3D SDF for #<Metabolite:0x00007f1218eb2928>

3D-SDF for #<Metabolite:0x00007f1218eb2928>

PDB for #<Metabolite:0x00007f1218eb2928>

3D PDB for #<Metabolite:0x00007f1218eb2928>

SMILES for #<Metabolite:0x00007f1218eb2928>

INCHI for #<Metabolite:0x00007f1218eb2928>

Structure for #<Metabolite:0x00007f1218eb2928>

3D Structure for #<Metabolite:0x00007f1218eb2928>